2-[4-(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(6-amino-8-bromo-2-butoxy-purin-9-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(6-amino-8-bromo-2-butoxy-9-purinyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(6-amino-8-bromo-2-butoxypurin-9-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(6-amino-8-bromo-2-butoxy-purin-9-yl)butyl]isoindoline-1,3-quinone Formula: C21H23BrN6O3 MolecularWeight: 487.34972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCCCN3C(=O)C4=CC=CC=C4C3=O)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCCCN3C(=O)C4=CC=CC=C4C3=O)Br

InChI

InChI=1S/C21H23BrN6O3/c1-2-3-12-31-21-25-16(23)15-17(26-21)27(20(22)24-15)10-6-7-11-28-18(29)13-8-4-5-9-14(13)19(28)30/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H2,23,25,26)